2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid

C20H22ClFO3 — CID 139937334

IUPAC2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid
SMILESO=C(O)C(Cl)CCCCCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H22ClFO3/c21-19(20(23)24)5-3-1-2-4-15-8-12-18(13-9-15)25-14-16-6-10-17(22)11-7-16/h6-13,19H,1-5,14H2,(H,23,24)
InChIKeyNNVVEKWDCFACLG-UHFFFAOYSA-N
MW364.84 g/mol
LogP5.20
Rot. Bonds10

About 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid

2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid (PubChem CID 139937334) has the molecular formula C20H22ClFO3 and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid.

Molecular Properties

Compound Name2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid
PubChem CID139937334
Molecular FormulaC20H22ClFO3
Molecular Weight364.84 g/mol
Exact Mass364.12
IUPAC Name2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid
SMILESO=C(O)C(Cl)CCCCCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H22ClFO3/c21-19(20(23)24)5-3-1-2-4-15-8-12-18(13-9-15)25-14-16-6-10-17(22)11-7-16/h6-13,19H,1-5,14H2,(H,23,24)
InChIKeyNNVVEKWDCFACLG-UHFFFAOYSA-N
XLogP5.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.84
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]propanedioate
CID 139937367
methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methoxyheptanoate
CID 139937384
ethyl 2-carbamoyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoate
CID 139937361
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate
CID 139937310
4-[4-[(4-fluorophenyl)methoxy]phenyl]butane-1,2-diol
CID 82185811
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
6-(4-fluorophenyl)hexanoic acid
CID 14739735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid?
The IUPAC name of 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid (CID 139937334) is 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid.
What is the SMILES notation for 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid?
The canonical SMILES for 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid is O=C(O)C(Cl)CCCCCc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid?
The InChIKey is NNVVEKWDCFACLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFO3/c21-19(20(23)24)5-3-1-2-4-15-8-12-18(13-9-15)25-14-16-6-10-17(22)11-7-16/h6-13,19H,1-5,14H2,(H,23,24).
What are the key properties of 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid?
2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid has a molecular weight of 364.84 g/mol, XLogP of 5.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid is sourced from PubChem (CID 139937334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).